SCHEMBL8746370

SCHEMBL8746370

CSCC[C@@H](C=O)Nc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
KCNH3 Q9ULD8 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
ANPEP P15144 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 4/20 0.34
LMNA P02545 2/20 0.34
CYP3A4 P08684 2/20 0.34
ALOX15 P16050 2/20 0.34
TSHR P16473 2/20 0.34
ALOX12 P18054 2/20 0.34
HSD17B10 Q99714 2/20 0.34
THRB P10828 1/20 0.34
RECQL P46063 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
CRHBP P24387 1/20 0.34
KMT2A Q03164 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2629438 0.85 CA12 (0.38) GAATDP1ALDH1A1LMNAMEN1
SCHEMBL12212847 0.84 FDPS (0.34) GAANPSR1SMN1; SMN2ALDH1A1LMNA
SCHEMBL141088 0.81 TDP1 (0.42) TDP1SMN1; SMN2ALDH1A1LMNACYP3A4
SCHEMBL9854459 0.77 ALDH1A1 (0.45) GAATDP1SMN1; SMN2ALDH1A1LMNA
SCHEMBL28255718 0.77 TDP1 (0.45) GAATDP1NPSR1SMN1; SMN2ALDH1A1
SCHEMBL13247628 0.76 GAA (0.36) GAAANPEPALDH1A1LMNAALOX15
SCHEMBL8724279 0.75 GAA (0.44) GAAALDH1A1CYP3A4TSHRALOX12
SCHEMBL3955074 0.73 GAA (0.55) GAANPSR1SMN1; SMN2ALDH1A1LMNA
SCHEMBL4740890 0.73 GAA (0.55) GAANPSR1SMN1; SMN2ALDH1A1LMNA
SCHEMBL16265022 0.72 KMT2A (0.47) GAASMN1; SMN2ALDH1A1ALOX15L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785494-B2 Calcium sensing receptor modulating compounds and pharmaceutical use thereof LEO-PHARMA A/S (DK) 2014-07-22 US disclosed
US-20120129926-A1 NOVEL CALCIUM SENSING RECEPTOR MODULATING COMPOUNDS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2012-05-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120129926-A1 NOVEL CALCIUM SENSING RECEPTOR MODULATING COMPOUNDS AND PHARMACEUTICAL USE THEREOF CASR, CALCR, ORAI1 GAA 2639/4885TDP1 3771/4885KCNH3 1048/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.